
 CHEMBL3957834

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.7558    3.6581    1.8231 C   0  0  0  0  0
    1.3032    2.7576    2.9587 C   0  0  0  0  0
    1.8608    1.3979    2.5654 C   0  0  0  0  0
    1.7846    1.3597    1.0316 C   0  0  0  0  0
    1.5182    2.8043    0.5846 C   0  0  0  0  0
    3.0114    0.8384    0.4560 N   0  0  0  0  0
    3.0034    0.1009   -0.7161 C   0  0  0  0  0
    1.9713   -0.1944   -1.3043 O   0  0  0  0  0
    4.4016   -0.3062   -1.1819 C   0  0  0  0  0
    4.3818   -1.5303   -2.1091 C   0  0  0  0  0
    4.8541   -1.2300   -3.5335 C   0  0  0  0  0
    4.2411   -0.0076   -4.0475 N   0  0  0  0  0
    4.5983    1.1745   -3.2487 C   0  0  0  0  0
    5.1141    0.8768   -1.8336 C   0  0  0  0  0
    4.5338    0.1542   -5.4824 C   0  0  0  0  0
    3.8052    1.3018   -6.1514 C   0  0  0  0  0
    4.4230    2.5610   -6.2404 C   0  0  0  0  0
    3.7771    3.6538   -6.8181 C   0  0  0  0  0
    2.5056    3.4641   -7.3694 C   0  0  0  0  0
    1.8811    2.2142   -7.3011 C   0  0  0  0  0
    2.5208    1.1414   -6.6793 C   0  0  0  0  0
    4.3303    4.9553   -6.8566 N   0  0  0  0  0
    5.5302    5.3583   -6.2925 C   0  0  0  0  0
    6.3507    4.6468   -5.7238 O   0  0  0  0  0
    5.8541    6.7999   -6.3978 C   0  0  0  0  0
    4.8923    7.8094   -6.4536 C   0  0  0  0  0
    5.3187    9.1301   -6.5162 C   0  0  0  0  0
    6.6750    9.4110   -6.5164 C   0  0  0  0  0
    7.6322    8.4579   -6.4522 N   0  0  0  0  0
    7.1982    7.1731   -6.3840 C   0  0  0  0  0
    4.4202   10.1209   -6.5659 F   0  0  0  0  0
    1.2008    4.5999    1.7914 H   0  0  0  0  0
    2.8227    3.8897    1.9242 H   0  0  0  0  0
    0.2082    2.7198    3.0018 H   0  0  0  0  0
    1.6730    3.0918    3.9321 H   0  0  0  0  0
    2.8953    1.3058    2.9176 H   0  0  0  0  0
    1.2888    0.5817    3.0188 H   0  0  0  0  0
    0.9488    0.7255    0.7178 H   0  0  0  0  0
    2.1389    3.1273   -0.2579 H   0  0  0  0  0
    0.4688    2.9002    0.2787 H   0  0  0  0  0
    3.8960    1.1707    0.8153 H   0  0  0  0  0
    4.9561   -0.5877   -0.2749 H   0  0  0  0  0
    3.3885   -1.9922   -2.1423 H   0  0  0  0  0
    5.0486   -2.2970   -1.6928 H   0  0  0  0  0
    5.9496   -1.1573   -3.5610 H   0  0  0  0  0
    4.5818   -2.0893   -4.1592 H   0  0  0  0  0
    5.3850    1.7649   -3.7320 H   0  0  0  0  0
    3.7121    1.8170   -3.1782 H   0  0  0  0  0
    6.1867    0.6473   -1.8925 H   0  0  0  0  0
    5.0289    1.7841   -1.2237 H   0  0  0  0  0
    4.2478   -0.7617   -6.0178 H   0  0  0  0  0
    5.6147    0.2635   -5.6469 H   0  0  0  0  0
    5.4232    2.6565   -5.8334 H   0  0  0  0  0
    1.9719    4.2835   -7.8424 H   0  0  0  0  0
    0.8871    2.0790   -7.7203 H   0  0  0  0  0
    2.0170    0.1797   -6.6083 H   0  0  0  0  0
    3.7738    5.6429   -7.3452 H   0  0  0  0  0
    3.8291    7.6057   -6.4127 H   0  0  0  0  0
    7.0313   10.4349   -6.5615 H   0  0  0  0  0
    7.9893    6.4283   -6.3154 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
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 16 21  1  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 22 23  1  0  0  0
 22 57  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 29 30  2  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3957834

>  <PubChem CID>
72704458

>  <Formula>
C24H29FN4O2

>  <Molecular Weight>
424.520000

>  <IUPAC Name>
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoropyridine-3-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC(=CN=C4)F

>  <Isomeric SMILES>
C1CCC(C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC(=CN=C4)F

>  <InChI Std. ID>
InChI=1S/C24H29FN4O2/c25-20-13-19(14-26-15-20)24(31)28-22-7-3-4-17(12-22)16-29-10-8-18(9-11-29)23(30)27-21-5-1-2-6-21/h3-4,7,12-15,18,21H,1-2,5-6,8-11,16H2,(H,27,30)(H,28,31)

>  <InChI Key>
DGDCNPKRBYTIJY-UHFFFAOYSA-N

